2-(4-bromopyrazol-1-yl)-N-[3-(4-bromopyrazol-1-yl)propyl]acetamide

C11H13Br2N5O — CID 19297618

IUPAC2-(4-bromopyrazol-1-yl)-N-[3-(4-bromopyrazol-1-yl)propyl]acetamide
SMILESO=C(Cn1cc(Br)cn1)NCCCn1cc(Br)cn1
InChIInChI=1S/C11H13Br2N5O/c12-9-4-15-17(6-9)3-1-2-14-11(19)8-18-7-10(13)5-16-18/h4-7H,1-3,8H2,(H,14,19)
InChIKeyQJPFMPUOIFWNBM-UHFFFAOYSA-N
MW391.07 g/mol
LogP1.81
Rot. Bonds6

About 2-(4-bromopyrazol-1-yl)-N-[3-(4-bromopyrazol-1-yl)propyl]acetamide

2-(4-bromopyrazol-1-yl)-N-[3-(4-bromopyrazol-1-yl)propyl]acetamide (PubChem CID 19297618) has the molecular formula C11H13Br2N5O and a molecular weight of 391.07 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-[3-(4-bromopyrazol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-[3-(4-bromopyrazol-1-yl)propyl]acetamide
PubChem CID19297618
Molecular FormulaC11H13Br2N5O
Molecular Weight391.07 g/mol
Exact Mass388.95
IUPAC Name2-(4-bromopyrazol-1-yl)-N-[3-(4-bromopyrazol-1-yl)propyl]acetamide
SMILESO=C(Cn1cc(Br)cn1)NCCCn1cc(Br)cn1
InChIInChI=1S/C11H13Br2N5O/c12-9-4-15-17(6-9)3-1-2-14-11(19)8-18-7-10(13)5-16-18/h4-7H,1-3,8H2,(H,14,19)
InChIKeyQJPFMPUOIFWNBM-UHFFFAOYSA-N
XLogP1.81
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.07
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-bromopyrazol-1-yl)propyl]-3-butylurea
CID 19334000
4-[3-(4-bromopyrazol-1-yl)propanoylamino]butanoyl chloride
CID 19561719
2-(4-bromopyrazol-1-yl)-N-(3,3-diphenylpropyl)acetamide
CID 52666297
N-[3-(4-bromopyrazol-1-yl)propyl]-2-(4-chlorophenoxy)acetamide
CID 19295830
benzyl N-[3-(4-bromopyrazol-1-yl)propyl]carbamate
CID 130570425
N-[3-(4-bromopyrazol-1-yl)propyl]-4-chloro-1H-pyrazole-5-carboxamide
CID 19295823
4-bromo-1-(9-bromononyl)pyrazole
CID 90431241
1-[1-[3-(4-bromopyrazol-1-yl)propylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19505060
(E)-N-[3-(4-bromopyrazol-1-yl)propyl]-3-(4-fluorophenyl)prop-2-enamide
CID 19295855
N-[3-(4-bromopyrazol-1-yl)propyl]-1-methyl-4-nitropyrazole-3-carboxamide
CID 4769951
(Z)-N-[3-(4-bromopyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide
CID 19295838
4-(4-bromopyrazol-1-yl)-N-propan-2-ylbutan-1-amine
CID 62441912

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[3-(4-bromopyrazol-1-yl)propyl]acetamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[3-(4-bromopyrazol-1-yl)propyl]acetamide (CID 19297618) is 2-(4-bromopyrazol-1-yl)-N-[3-(4-bromopyrazol-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-[3-(4-bromopyrazol-1-yl)propyl]acetamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-[3-(4-bromopyrazol-1-yl)propyl]acetamide is O=C(Cn1cc(Br)cn1)NCCCn1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-[3-(4-bromopyrazol-1-yl)propyl]acetamide?
The InChIKey is QJPFMPUOIFWNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2N5O/c12-9-4-15-17(6-9)3-1-2-14-11(19)8-18-7-10(13)5-16-18/h4-7H,1-3,8H2,(H,14,19).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-[3-(4-bromopyrazol-1-yl)propyl]acetamide?
2-(4-bromopyrazol-1-yl)-N-[3-(4-bromopyrazol-1-yl)propyl]acetamide has a molecular weight of 391.07 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-[3-(4-bromopyrazol-1-yl)propyl]acetamide is sourced from PubChem (CID 19297618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).